2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide

C12H14N4O4 — CID 82358201

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cc2nonc2N)c1
InChIInChI=1S/C12H14N4O4/c1-18-7-3-4-10(19-2)8(5-7)14-11(17)6-9-12(13)16-20-15-9/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyBWAASMAKEWZATB-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.85
Rot. Bonds5

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 82358201) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID82358201
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cc2nonc2N)c1
InChIInChI=1S/C12H14N4O4/c1-18-7-3-4-10(19-2)8(5-7)14-11(17)6-9-12(13)16-20-15-9/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyBWAASMAKEWZATB-UHFFFAOYSA-N
XLogP0.85
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(2,5-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688302
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 82358212
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794289
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048
N-(2,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399992
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 16557440
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide (CID 82358201) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)Cc2nonc2N)c1.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is BWAASMAKEWZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-18-7-3-4-10(19-2)8(5-7)14-11(17)6-9-12(13)16-20-15-9/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 278.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 82358201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).